CHEBI:169458 - 6-{4-[(5-carboxy-2,3-dihydroxyphenoxy)carbonyl]-2,6-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-{4-[(5-carboxy-2,3-dihydroxyphenoxy)carbonyl]-2,6-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:169458
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H18O15
Net Charge 0
Average Mass 498.349
Monoisotopic Mass 498.06457
InChI InChI=1S/C20H18O15/c21-7-1-5(17(28)29)4-10(11(7)24)33-19(32)6-2-8(22)15(9(23)3-6)34-20-14(27)12(25)13(26)16(35-20)18(30)31/h1-4,12-14,16,20-27H,(H,28,29)(H,30,31)
InChIKey HUQDXJPMUFXASW-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(O)C=C(C=C2O)C(OC=3C(O)=C(O)C=C(C3)C(O)=O)=O)C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6-{4-[(5-carboxy-2,3-dihydroxyphenoxy)carbonyl]-2,6-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169458) is a tannin (CHEBI:26848)
IUPAC Name
6-[4-(5-carboxy-2,3-dihydroxyphenoxy)carbonyl-2,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0128327 HMDB
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